SCHEMBL2837809

SCHEMBL2837809

COc1cccc(Sc2sc(CCNC(=O)O)cc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.44
MTNR1B P49286 7/20 0.44
EDNRA P25101 2/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4139239 0.85 CA2 (0.37) MTNR1AMTNR1BALDH1A1LMNAKMT2A
SCHEMBL4131274 0.84 MTNR1A (0.41) MTNR1AMTNR1BLMNA
SCHEMBL2839246 0.82 EDNRA (0.41) MTNR1AMTNR1BEDNRAALDH1A1KMT2A
SCHEMBL2837806 0.80 EDNRA (0.44) MTNR1AMTNR1BEDNRAKMT2ATUBB4A
SCHEMBL4120668 0.79 GSK3B (0.39) MTNR1AMTNR1BEDNRAKMT2ADHFR
SCHEMBL3650678 0.79 EDNRA (0.40) MTNR1AMTNR1BEDNRAALDH1A1KMT2A
SCHEMBL4131739 0.76 MEP1B (0.42) MTNR1BALDH1A1CLK1
SCHEMBL3650681 0.76 EDNRA (0.43) MTNR1AMTNR1BEDNRATUBB4ATUBB
SCHEMBL3650675 0.73 EDNRA (0.39) MTNR1AMTNR1BEDNRATUBB4ATUBB
SCHEMBL4131691 0.72 MAPT (0.41) MTNR1AMTNR1BEDNRALMNACLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-04-14 EP disclosed
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MTNR1A 3724/4885MTNR1B 3125/4885EDNRA 4381/4885
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R MTNR1A 1012/4885MTNR1B 1116/4885EDNRA 1407/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.